HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Ethoxybenzoesure
NSC8705 · ACS 0393 · NSC 8705 · NSC-8705 · AKOS BBB/248 · 4-ethoxybenzoate · AKOS BBS-00003741 · P-CARBOXYPHENETOL
Identifikatoren & physikalische Daten
| CAS No. | 619-86-3 |
|---|---|
| Summenformel | C9H10O3 |
| Durchschnittliche Molmasse | 166,17 g/mol |
| Monoisotopische Masse | 166,06299418 g/mol |
| SMILES | CCOc1ccc(C(=O)O)cc1 |
| InChIKey | SHSGDXCJYVZFTP-UHFFFAOYSA-N |
| PubChem CID | 12093 |
| ChEMBL | CHEMBL324769 |
| EC No. | 210-616-3 |
| DTXSID | DTXSID2060709 |
| Lokaler Name | 4-Ethoxybenzoesure |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 148 |
| Schmelzpunkt | 197-199 °C(lit.) |
| Siedepunkt | 254.38°C (rough estimate) |
| Dichte | 1.1708 (rough estimate) |
| Dampfdruck | 0.071Pa at 25℃ |
| Brechungsindex | 1.5500 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | almost transparency in hot Methanol583mg/L at 25℃ |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 4.49±0.10(Predicted) |
| Farbe | White to Almost white |
| BRN | 2207349 |
| InChI | 1S/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11) |
| InChIKey | SHSGDXCJYVZFTP-UHFFFAOYSA-N |
| SMILES | CCOc1ccc(cc1)C(O)=O |
| LogP (Verteilungskoeffizient) | 2.39 |
| CAS Datenbank | 619-86-3(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Ethoxybenzoic acid(619-86-3) |
| EPA chemische Informationen | Benzoic acid, 4-ethoxy- (619-86-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Benzoic acid, 4-ethoxy-Status: Cease Manufacture Update: 12-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20099 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (95.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29189900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-24/25-25-24 |
| Gefahrenklasse | IRRITANTAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Ethoxybenzoic acid was used to prepare highly conducting and flexible few-walled carbon nanotube thin films.